1-butyl-2-(2-methylsulfanylethyl)imidazole;platinum

C10H18N2PtS — CID 174536207

IUPAC1-butyl-2-(2-methylsulfanylethyl)imidazole;platinum
SMILESCCCCn1ccnc1CCSC.[Pt]
InChIInChI=1S/C10H18N2S.Pt/c1-3-4-7-12-8-6-11-10(12)5-9-13-2;/h6,8H,3-5,7,9H2,1-2H3;
InChIKeyACYWEDSSGPDAAJ-UHFFFAOYSA-N
MW393.41 g/mol
LogP2.59
Rot. Bonds6

About 1-butyl-2-(2-methylsulfanylethyl)imidazole;platinum

1-butyl-2-(2-methylsulfanylethyl)imidazole;platinum (PubChem CID 174536207) has the molecular formula C10H18N2PtS and a molecular weight of 393.41 g/mol. Its IUPAC name is 1-butyl-2-(2-methylsulfanylethyl)imidazole;platinum.

Molecular Properties

Compound Name1-butyl-2-(2-methylsulfanylethyl)imidazole;platinum
PubChem CID174536207
Molecular FormulaC10H18N2PtS
Molecular Weight393.41 g/mol
Exact Mass393.08
IUPAC Name1-butyl-2-(2-methylsulfanylethyl)imidazole;platinum
SMILESCCCCn1ccnc1CCSC.[Pt]
InChIInChI=1S/C10H18N2S.Pt/c1-3-4-7-12-8-6-11-10(12)5-9-13-2;/h6,8H,3-5,7,9H2,1-2H3;
InChIKeyACYWEDSSGPDAAJ-UHFFFAOYSA-N
XLogP2.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-butyl-1-ethylimidazole;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(2-methylsulfanylethyl)imidazole;platinum?
The IUPAC name of 1-butyl-2-(2-methylsulfanylethyl)imidazole;platinum (CID 174536207) is 1-butyl-2-(2-methylsulfanylethyl)imidazole;platinum.
What is the SMILES notation for 1-butyl-2-(2-methylsulfanylethyl)imidazole;platinum?
The canonical SMILES for 1-butyl-2-(2-methylsulfanylethyl)imidazole;platinum is CCCCn1ccnc1CCSC.[Pt].
What is the InChIKey of 1-butyl-2-(2-methylsulfanylethyl)imidazole;platinum?
The InChIKey is ACYWEDSSGPDAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S.Pt/c1-3-4-7-12-8-6-11-10(12)5-9-13-2;/h6,8H,3-5,7,9H2,1-2H3;.
What are the key properties of 1-butyl-2-(2-methylsulfanylethyl)imidazole;platinum?
1-butyl-2-(2-methylsulfanylethyl)imidazole;platinum has a molecular weight of 393.41 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(2-methylsulfanylethyl)imidazole;platinum is sourced from PubChem (CID 174536207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).